8
TfO-_UB3LYP-aug-cc-pVDZ-Opt
 S         5.046010000000      0.664220000000     -0.075120000000
 C         6.798610000000      1.067870000000      0.567230000000
 O         4.176070000000      1.483920000000      0.832450000000
 O         4.968100000000     -0.821770000000      0.120700000000
 F         7.756530000000      0.411870000000     -0.135050000000
 F         7.075720000000      2.392950000000      0.476420000000
 F         6.949950000000      0.717750000000      1.869490000000
 O         5.113070000000      1.127730000000     -1.500930000000
